1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 61195802

IUPAC1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)N(CC)C2CC2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-3-11-7-9-15(10-8-11,13(18)19)16-14(20)17(4-2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPHIFBYMBZANQNP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds5

About 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid

1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 61195802) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID61195802
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)N(CC)C2CC2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-3-11-7-9-15(10-8-11,13(18)19)16-14(20)17(4-2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPHIFBYMBZANQNP-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61186309
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
1-[bis(prop-2-enyl)carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61192726
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61187593
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61186572
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292961
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
CID 79647444

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid (CID 61195802) is 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)N(CC)C2CC2)(C(=O)O)CC1.
What is the InChIKey of 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is PHIFBYMBZANQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-11-7-9-15(10-8-11,13(18)19)16-14(20)17(4-2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61195802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).